Crystallography Open Database

Information card for entry 4328243

Preview

Coordinates	4328243.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H12 Mn N12
Calculated formula	C19 H12 Mn N12
Title of publication	Host-Guest Supramolecular Interactions in the Coordination Compounds of 4,4'-Azobis(pyridine) with MnX2 (X = NCS-, NCNCN-, and PF6-): Structural Analyses and Theoretical Study
Authors of publication	Paramita Kar; Rituparna Biswas; Michael G. B. Drew; Antonio Frontera; Ashutosh Ghosh
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	1837 - 1851
a	7.454 ± 0.004 Å
b	12.28 ± 0.005 Å
c	12.905 ± 0.005 Å
α	64.89 ± 0.04°
β	83.52 ± 0.04°
γ	88.19 ± 0.04°
Cell volume	1062.6 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0928
Residual factor for significantly intense reflections	0.0725
Weighted residual factors for significantly intense reflections	0.1895
Weighted residual factors for all reflections included in the refinement	0.2028
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4328243.cif
77193	2013-03-24	cif/ Adding structures of 4328243 via cif-deposit CGI script.	4328243.cif